Example 1.34: Quickly calculate the liquidus and solidus temperatures for a series of alloys

Purpose: Quickly find the liquidus or the solidus temperatures for a series of alloys

Module: PanPhaseDiagram

Database: Al_Demo.rtdb

Batch files: Example_#1.34a.pbfx, Example_#1.34b.pbfx,  Example_#1.34c.pbfx, Example_# 1.34d.pbfx

Here we use Example_# 1.34a.pbfx to explain the meaning and syntax in the batch file:

<pbfx version="1.0"  encoding="utf-8">
    <calculation name="Example_#1.34a" type="point">
        <databases>
            <database type="rtdb" file_name="Al_Demo.rtdb"/>
        </databases>
        <units>
            <unit name="P" value="bar"/>
            <unit name="T" value="K"/>
            <unit name="n" value="x"/>
        </units>
        <system name="Default_System">
            <components>
                <component name="Al" status="Selected"/>
                <component name="Mg" status="Selected"/>
                <component name="Zn" status="Selected"/>
            </components>
            <phases>
                <phase name="*" status="Entered" />
            </phases>

            <points>
                <point>
                    <statespace>
                        <T value="1000"/>
                        <P value="1"/>
                        <n component="Al" value="0.8" start="0" stop="0.8" step="0.1" />
                        <n component="Mg" value="0.2"/>
                        <n component="Zn" value=""/>
                    </statespace>
                </point>
            </points>
            <condition>
                <equilibrium_type type="Liquidus"/>
            </condition>

        </system>

        <output unit="">
            <tables>
                <table name="Default" source="Default" type="Default">
                    <column name="T"/>
                    <column name="x(*)"/>
                    <column name="phase_name"/>
                    <column name="f(@*)"/>
                    <column name="G"/>
                    <column name="w(*)"/>
                    <column name="Label"/>
                </table>
            </tables>
            <graphs>
                <graph name="Default" type="triangle">
                </graph>
            </graphs>
        </output>
    </calculation>
</pbfx>


In this batch file, a series of calculation points is defined using a loop. Specifically, the composition of Al varies from 0 to 0.8 with a step size of 0.1, Mg is fixed at 0.2, and Zn is set as the balance. In the Condition section, the parameter “Equilibrium_type” is set to “Liquidus”. Using this batch file, the liquidus temperatures for the series of alloy compositions defined by the composition loop can be calculated directly.

Example_#1.34b.pbfx provides an example for defining a series of compositions that cannot be described by a simple loop. In this case, the alloy compositions are read from a text file:.

            <condition>
                <alloy_file name="Alloys_AlMgZn.txt" />            
                <equilibrium_type type="Liquidus"/>
            </condition>

Similarly, Example_# 1.34c.pbfx and  Example_#1.34d.pbfx are used to calculate the solidus temperatures for a series of alloys defined by a composition loop and by importing compositions from a text file, respectively.

Figure 1.34.1 shows the calculated liquidus and solidus temperatures by using Example_# 1.34a.pbfx and Example_#1.34c.pbfx.

Figure 1.34.1: The quickly obtained liquidus and solidus temperature of some alloys located in Al-0.2Mg-xZn section.